SCHEMBL10055403

SCHEMBL10055403

COc1cc(/N=c2\[nH]c(=O)n(C[C@H](C)C(=O)O)c(=O)n2Cc2ccc(C)cc2)ccc1Br

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 20/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17590523 0.92 P2RX3 (0.61) P2RX3
SCHEMBL10056981 0.90 P2RX3 (0.61) P2RX3
SCHEMBL10055815 0.88 P2RX3 (0.60) P2RX3
SCHEMBL10055874 0.88 P2RX3 (0.59) P2RX3
SCHEMBL10055729 0.88 P2RX3 (0.61) P2RX3
SCHEMBL10057238 0.87 P2RX3 (0.59) P2RX3
SCHEMBL19184212 0.87 P2RX3 (0.58) P2RX3
SCHEMBL10055544 0.84 P2RX3 (0.57) P2RX3
SCHEMBL19184303 0.84 P2RX3 (0.54) P2RX3
SCHEMBL10056984 0.84 P2RX3 (0.58) P2RX3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718790-B2 Triazine derivative and pharmaceutical composition having an analgesic activity comprising the same SHIONOGI & CO., LTD. (JP) 2017-08-01 — — US disclosed
US-9718790-B2 Triazine derivative and pharmaceutical composition having an analgesic activity comprising the same SHIONOGI & CO., LTD. (JP) 2017-08-01 — — US disclosed
EP-2604595-B1 TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOUND THAT CONTAINS SAME AND EXHIBITS ANALGESIC ACTIVITY SHIONOGI & CO (JP) 2016-03-16 — — EP disclosed
WO-2012020749-A1 TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOUND THAT CONTAINS SAME AND EXHIBITS ANALGESIC ACTIVITY 塩野義製薬株式会社 (JP) 2012-02-16 — — WO disclosed
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